Known targets — ChEMBL curated mechanism
ADRA2AADRA2BADRA2CADRB2AGTR1AVPR1AAVPR1BAVPR2BDKRB2CALCRCHRNA3CHRNB4ESR1ESR2GHSRGNRHRGSC1HSPA8MALT1MC1RMC4RNOS1NOS2NOS3OPRK1OXTRRAMP1RAMP2RAMP3SCN5ASSTR1SSTR2SSTR3SSTR4SSTR5dacAdacBdacCfolPftsImrcAmrcBmrdArplArplBrplCrplDrplErplFrplJrplKrplLrplMrplNrplOrplPrplQrplRrplSrplTrplUrplVrplWrplXrplYrpmArpmBrpmCrpmDrpmErpmFrpmGrpmHrpmIrpmJrpsArpsBrpsCrpsDrpsErpsFrpsGrpsHrpsIrpsJrpsKrpsLrpsMrpsNrpsOrpsPrpsQrpsRrpsSrpsTrpsUykgMykgO
The experimentally established mechanism targets of Benzene. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.
Predicted protein targets (top 20)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | FFAR3 | O14843 | 2/20 | 0.70 |
| ▸ | LCK | P06239 | 1/20 | 0.70 |
| ▸ | FYN | P06241 | 1/20 | 0.70 |
| ▸ | LMNA | P02545 | 3/20 | 0.46 |
| ▸ | TSHR | P16473 | 4/20 | 0.42 |
| ▸ | THPO | P40225 | 1/20 | 0.42 |
| ▸ | CES2 | O00748 | 1/20 | 0.40 |
| ▸ | CES1 | P23141 | 1/20 | 0.40 |
| ▸ | CA1 | P00915 | 3/20 | 0.39 |
| ▸ | ALOX15 | P16050 | 2/20 | 0.39 |
| ▸ | BLM | P54132 | 1/20 | 0.39 |
| ▸ | PMP22 | Q01453 | 1/20 | 0.39 |
| ▸ | NAPRT | Q6XQN6 | 2/20 | 0.38 |
| ▸ | HSD17B10 | Q99714 | 1/20 | 0.38 |
| ▸ | CA2 | P00918 | 1/20 | 0.36 |
| ▸ | CA9 | Q16790 | 1/20 | 0.36 |
| ▸ | MAPT | P10636 | 1/20 | 0.36 |
| ▸ | SMN1; SMN2 | Q16637 | 1/20 | 0.36 |
| ▸ | ALDH1A1 | P00352 | 3/20 | 0.35 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.35 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| Benzene SCHEMBL12471042 | 1.00 | FFAR3 (0.70) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL28054628 | 0.95 | FFAR3 (0.78) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL30925595 | 0.95 | FFAR3 (0.78) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL1761127 | 0.95 | FFAR3 (0.78) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL21273372 | 0.95 | FFAR3 (0.78) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL27465824 | 0.95 | FFAR3 (0.78) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL11551346 | 0.90 | LMNA (0.60) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL10625833 | 0.90 | FFAR3 (0.70) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL20972992 | 0.90 | FFAR3 (0.70) | FFAR3LCKFYNLMNATSHR | |
| Benzene SCHEMBL3673826 | 0.90 | FFAR3 (0.70) | FFAR3LCKFYNLMNATSHR |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-1991858-A2 | DIVALENT METAL ION SENSORS AND BINDERS | University of North Dakota (US) | 2008-11-19 | — | — | EP | claimed |
| WO-2007089781-A2 | DIVALENT METAL ION SENSORS AND BINDERS | UNIVERSITY OF NORTH DAKOTA (US) | 2007-08-09 | — | — | WO | claimed |